5-methyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one

Systemtic Name: 5-methyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-methyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone CAS Name: 5-methyl-2-[2-[4-(5-nonyl-2-pyrimidinyl)phenyl]-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-methyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 5-methyl-2-[2-[4-(5-nonylpyrimidin-2-yl)phenyl]acetyl]cyclohexanone Formula: C28H38N2O2 MolecularWeight: 434.61352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)C

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(=O)C3CCC(CC3=O)C

InChI

InChI=1S/C28H38N2O2/c1-3-4-5-6-7-8-9-10-23-19-29-28(30-20-23)24-14-12-22(13-15-24)18-27(32)25-16-11-21(2)17-26(25)31/h12-15,19-21,25H,3-11,16-18H2,1-2H3